2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide

C16H25ClN3O3S+ — CID 8839657

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide
SMILESCC[NH+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-4-20-9-5-6-12(20)11-18-16(21)14-10-13(7-8-15(14)17)24(22,23)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-/m0/s1
InChIKeyMHISZLOYYHNMML-LBPRGKRZSA-O
MW374.91 g/mol
LogP0.39
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide (PubChem CID 8839657) has the molecular formula C16H25ClN3O3S+ and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide
PubChem CID8839657
Molecular FormulaC16H25ClN3O3S+
Molecular Weight374.91 g/mol
Exact Mass374.13
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide
SMILESCC[NH+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-4-20-9-5-6-12(20)11-18-16(21)14-10-13(7-8-15(14)17)24(22,23)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-/m0/s1
InChIKeyMHISZLOYYHNMML-LBPRGKRZSA-O
XLogP0.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
CID 60607437
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-5-(dimethylsulfamoyl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301674
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
2-chloro-5-(diethylsulfamoyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 9119785
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 11931581
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide (CID 8839657) is 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide is CC[NH+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide?
The InChIKey is MHISZLOYYHNMML-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H24ClN3O3S/c1-4-20-9-5-6-12(20)11-18-16(21)14-10-13(7-8-15(14)17)24(22,23)19(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-/m0/s1.
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide has a molecular weight of 374.91 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide is sourced from PubChem (CID 8839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).